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(1S*,5R*,7R*,8R*)-2,7-Dimethyltricyclo[6.3.0.0(1,5)]undec-2-en-4-one
SpectraBase Compound ID 14mLYxOHP5V
InChI InChI=1S/C13H18O/c1-8-6-11-12(14)7-9(2)13(11)5-3-4-10(8)13/h7-8,10-11H,3-6H2,1-2H3/t8-,10-,11+,13+/m1/s1
InChIKey OZYJNVYRDOMPHP-GOONRYMUSA-N
Mol Weight 190.29 g/mol
Molecular Formula C13H18O
Exact Mass 190.135765 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FnuBTDotsPg
Name (1S*,5R*,7R*,8R*)-2,7-Dimethyltricyclo[6.3.0.0(1,5)]undec-2-en-4-one
Alternate Name(s) (3aR,5R,5aR,8aS)-1,5-dimethyl-4,5,5a,6,7,8-hexahydrocyclopenta[c]pentalen-3(3aH)-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H18O
InChI InChI=1S/C13H18O/c1-8-6-11-12(14)7-9(2)13(11)5-3-4-10(8)13/h7-8,10-11H,3-6H2,1-2H3/t8-,10-,11+,13+/m1/s1
InChIKey OZYJNVYRDOMPHP-GOONRYMUSA-N
Literature Reference DOI 10.1002/hlca.19810640417
Molecular Weight 190.286 g/mol
SMILES [C@]1([C@@]2([C@]3([C@@](C(C=C3C)=O)([H])C1)CCC2)[H])(C)[H]
SPLASH splash10-000l-2900000000-0be2a5e9275ff95d6909
Source of Spectrum H-64-1131-19
Wiley ID 1797567